182 citations · 203 across the 3 of their papers we have counts for
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cond-mat.mtrl-sci2022★ 15 cited
Learned Force Fields Are Ready For Ground State Catalyst Discovery
Michael Schaarschmidt, Morgane Riviere, Alex M. Ganose +6
We present evidence that learned density functional theory (``DFT'') force fields are ready for ground state catalyst discovery. Our key finding is that relaxation using forces fro…
cond-mat.mtrl-sci2021★ 6 cited
Atomistic graph networks for experimental materials property prediction
Tian Xie, Victor Bapst, Alexander L. Gaunt +5
Machine Learning (ML) has the potential to accelerate discovery of new materials and shed light on useful properties of existing materials. A key difficulty when applying ML in Mat…